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| CAS No.: | 83621-01-6 |
|---|---|
| Name: | 6-methoxypyridine-2-carbonitrile |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H6N2O |
| Molecular Weight: | 134.137 |
| Synonyms: | Picolinonitrile,6-methoxy- (6CI);2-Cyano-6-methoxypyridine; |
| Density: | 1.162 g/cm3 |
| Melting Point: | 62-67°C |
| Boiling Point: | 230.517 °C at 760 mmHg |
| Flash Point: | 93.214 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 20/21/22-37/38-41 |
| Safety: | 26-36/37/39 |
| PSA: | 45.91000 |
| LogP: | 0.96188 |
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- Total:30 Page 1 of 1 1
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Specification
The 2-Pyridinecarbonitrile,6-methoxy-, with the CAS registry number 83621-01-6, is also known as 2-Cyano-6-methoxypyridine. This chemical's molecular formula is C7H6N2O and molecular weight is 134.1353. What's more, its systematic name is called 6-Methoxypyridine-2-carbonitrile.
Physical properties about 2-Pyridinecarbonitrile,6-methoxy- are: (1) ACD/LogP: 1.85; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1; (4) ACD/LogD (pH 7.4): 1; (5) ACD/BCF (pH 5.5): 3; (6) ACD/BCF (pH 7.4): 3; (7) ACD/KOC (pH 5.5): 82; (8) ACD/KOC (pH 7.4): 82; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 45.91 Å2; (13) Index of Refraction: 1.527; (14) Molar Refractivity: 35.484 cm3; (15) Molar Volume: 115.433 cm3; (16) Surface Tension: 50.153 dyne/cm; (17) Density: 1.162 g/cm3; (18) Flash Point: 93.214 °C; (19) Enthalpy of Vaporization: 46.716 kJ/mol; (20) Boiling Point: 230.517 °C at 760 mmHg; (21) Vapour Pressure: 0.066 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cccc(C#N)n1
(2) InChI: InChI=1/C7H6N2O/c1-10-7-4-2-3-6(5-8)9-7/h2-4H,1H3
(3) InChIKey: LTSUUWWSGRKYFO-UHFFFAOYAP